Inorganic Solid Phases

Pb2ZnFe3+2(Fe3+2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O0.8] (Zn2.2Fe4.8Pb2[AsO4]4O0.8[OH]9.2) Crystal Structure

General Information

  • Phase Label(s): Zn2.2Fe4.8Pb2[AsO4]4O0.8[OH]9.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): jamesite
  • Pearson Symbol: aP41
  • Space Group: 2
  • Phase Prototype: Zn(Zn0.3Fe0.7)4Fe2Pb2[AsO4]4(O0.4[OH]0.6)2[OH]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1609 reflections; F > 5σ(F), R = 0.049; wR = 0.055
  • Sample Detail(s): jamesite sample from Namibia, Tsumeb, Tsumeb mine, electron microprobe analysis; 27.40 wt.% PbO, 27.94 wt.% As2O5, 23.30 wt.% Fe2O3, 10.39 wt.% ZnO, 0.27 wt.% Ga2O3, 0.09 wt.% Al2O3, 0.21 wt.% CuO, 5.06 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.006×0.024×0.084 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn2.2Fe4.8Pb2[AsO4]4O0.8[OH]9.2
  • Alphabetic Formula: [AsO4]4Fe4.8O0.8[OH]9.2Pb2Zn2.2
  • Published Formula: Pb2ZnFe3+2(Fe3+2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O0.8]
  • Refined Formula: As4Fe4.80H9.20O26Pb2Zn2.20
  • Wyckoff Sequence: 2,i19fea
  • Z Formula Units: 1
  • Density: ρ = 5.08 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014088

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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